CID 3049282

2-oxazolemethanamine, 5-(4-bromophenyl)-n-ethyl-, monohydrochloride

Structural Information

Molecular Formula
C12H13BrN2O
SMILES
CCNCC1=NC=C(O1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H13BrN2O/c1-2-14-8-12-15-7-11(16-12)9-3-5-10(13)6-4-9/h3-7,14H,2,8H2,1H3
InChIKey
VENQEUWMKJLQEU-UHFFFAOYSA-N
Compound name
N-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

280.02112 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02840 156.3
[M+Na]+ 303.01034 167.6
[M-H]- 279.01384 165.0
[M+NH4]+ 298.05494 175.0
[M+K]+ 318.98428 157.0
[M+H-H2O]+ 263.01838 154.7
[M+HCOO]- 325.01932 178.5
[M+CH3COO]- 339.03497 197.1
[M+Na-2H]- 300.99579 163.2
[M]+ 280.02057 176.5
[M]- 280.02167 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe